SpectraBase Spectrum ID |
LIdvHLknzFv |
Name |
1-Phenyl-2-{1-(4-tolyl)ethyl}-propen-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.135765199 u |
Formula |
C18H18O |
InChI |
InChI=1S/C18H18O/c1-13-9-11-16(12-10-13)14(2)15(3)18(19)17-7-5-4-6-8-17/h4-12,14H,3H2,1-2H3 |
InChIKey |
XBKWCLXWMDMXBO-UHFFFAOYSA-N |
Molecular Weight |
250.341 g/mol |
SMILES |
C=1C=C(C=CC1C)C(C(=C)C(C1=CC=CC=C1)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907325 |